3-phenyl-N-[3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]propanamide

Systemtic Name: 3-phenyl-N-[3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]propanamide Openeye Name: 3-phenyl-N-[3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide CAS Name: N-[3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-phenylpropanamide IUPAC Name: 3-phenyl-N-[3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]propanamide Traditional Name: 3-phenyl-N-[3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]phenyl]propionamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C23H21N3O2S2/c27-21(13-11-17-6-2-1-3-7-17)24-18-8-4-9-19(16-18)25-23(29)26-22(28)14-12-20-10-5-15-30-20/h1-10,12,14-16H,11,13H2,(H,24,27)(H2,25,26,28,29)/b14-12+